Rapid Communications in Mass Spectrometry最新文献

{"title":"Determination of 115 Pesticide Residues in Textiles by Liquid Chromatography–Tandem Mass Spectrometry","authors":"Ying Li,&nbsp;Xiwen Ye,&nbsp;Xin Luo,&nbsp;Wenxuan Zhu,&nbsp;Zhixu Tang,&nbsp;Zengyuan Niu","doi":"10.1002/rcm.9992","DOIUrl":"10.1002/rcm.9992","url":null,"abstract":"<div>\u0000 \u0000 <p>The presence of pesticide residues in textiles poses a risk to human health. We established a robust and high-throughput liquid chromatography–tandem mass spectrometry method for the determination of 115 pesticide residues in textiles. In this study, we evaluated high-performance liquid chromatography–tandem mass spectrometry conditions and sample extraction methods, including separation performance of different columns, mass conditions, extraction solvent, and extraction time. Finally, we established the method as follows: After ultrasonic extraction with methanol, we blew the sample with nitrogen to dry and then took it to a fixed volume by a specific solvent. We used a C18 reversed-phase chromatographic column and detected the samples in the multiple reaction monitoring mass mode. And we verify the limit of detection (LOD), limit of quantitation (LOQ), linearity, recovery, and precision. The LOD and LOQ of the method was 10 and 20 μg/kg separately; the recoveries ranged from 71.3% to 118.4%; and the relative standard deviation was 0.2%–19.9%. We verified the applicability of the developed protocol through the analysis of 21 real textile products.</p>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 9","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143045164","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"From Breaking Bad to Breaking Bonds-Mass Spectrometry in the Classroom.","authors":"Russell J Mortishire-Smith, Benjamin J Mortishire-Smith, John S Smith","doi":"10.1002/rcm.9970","DOIUrl":"https://doi.org/10.1002/rcm.9970","url":null,"abstract":"<p><p>We describe a workshop that prompts chemistry students in the final 2 years of secondary school to apply their understanding of modern analytical chemistry techniques to a 'real world' example. The scenario used is that of a forensic science laboratory that has been asked to determine the structure of an illicit compound, Revisomed (methamphetamine) being sold as a revision aid, and seized by police. Over the course of an hour, the students use a combination of infrared (IR) spectroscopy, liquid chromatography (LC), high-resolution mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy data to determine the structure of Revisomed from first principles. The bulk of the workshop is spent reviewing MS data and using m/z, the isotope pattern, elemental composition and product ion data to reach three plausible isomeric structures for Revisomed, which are then distinguished by NMR spectroscopy. More broadly, the workshop focusses on the use of the scientific method and the concept that 'no ideas are bad' when exploring hypotheses. We describe the structure of the workshop, and our experience delivering it to a local academy over the last 9 years.</p>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":" ","pages":"e9970"},"PeriodicalIF":1.8,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143021517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ambient Ionization Mass Spectrometry for Fatty Acids Composition Investigation of Natural Lipids: A Multidisciplinary Workshop.","authors":"Stanislav I Pekov","doi":"10.1002/rcm.9985","DOIUrl":"https://doi.org/10.1002/rcm.9985","url":null,"abstract":"<p><strong>Rationale: </strong>Teaching mass spectrometry essentials is usually connected with one of the basic courses for undergrads. Thus, specific previous knowledge is required from students. However, the necessity of teaching mass spectrometry essentials to students of different academic specializations and multidisciplinary groups can arise in every academic group. A specific workshop is needed to address such a demand.</p><p><strong>Methods: </strong>The presented workshop consisted of several thematic parts: assembling an ambient ionization ion source using improvised materials, preparing biological samples for analysis, data acquisition, and interpretation of data to solve a simple problem from the real world.</p><p><strong>Results: </strong>The first part of the work consisted of assembling an ambient ionization setup and obtaining mass spectra of substances from standard solutions, natural mixtures, and biological fluids such as saliva. The second half of the workshop consists of analyzing the composition of fatty acids of natural and artificial fats using the same ion source. The identification of oils is a simple model problem that makes the workshop attractive for attendees with different backgrounds.</p><p><strong>Conclusions: </strong>The workshop provides students with practical skills that are highly valuable in fundamental and applied mass spectrometry. Students familiarize themselves with the basic concepts, instrument use, and mass spectra interpretation. They achieve basic hands-on experience in experimentation procedures and the practice of using mass spectrometry to solve problems related to real life.</p>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":" ","pages":"e9985"},"PeriodicalIF":1.8,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143031827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identification of Different Steaming Degrees of Panax quinquefolius L. Based on GC-IMS Combined With Machine Learning","authors":"Yuzhang Mi,&nbsp;Hongjing Dong,&nbsp;Xiao Wang,&nbsp;Shuang Liu,&nbsp;Min Jiang,&nbsp;Qi Liang,&nbsp;Jian Chen","doi":"10.1002/rcm.9991","DOIUrl":"10.1002/rcm.9991","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p><i>Panax quinquefolius</i> L. (PQ), a commonly used traditional Chinese medicine and a food, is usually processed into various products, including white PQ, red PQ (two- or three-time steamed PQ), and black PQ (nine-time steamed PQ). Previous studies demonstrated that volatile components (VOCs) were the important active substances of PQ, which had antibacterial, antiviral, and anti-leukemia activities. However, most research had focused on ginsenosides, and few studies on the volatile components (VOCs) of PQ.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>This study used gas chromatography-ion mobility spectrometry to analyze the variation of VOCs in PQ during steaming process. Further, machine learning algorithms were used to quickly identify the steaming degrees of PQ samples.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>A total of 58 VOCs were identified, and 20 featured components with significant changes in the content were screened, including 2-methylundecanal, n-propanol, and n-octanol. Based on these 20 featured components, six machine learning algorithms were used to predict PQ samples with different steaming degrees. Among them, naive Bayes (NB) and linear discriminant analysis (LDA) exhibited good predictive performance, demonstrating significant potential application. This study provided a reference for understanding the variation of VOCs in PQ during steaming and offered a simple, rapid, and low-cost method for distinguishing the steaming degrees of PQ samples.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 8","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142997137","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Highly Efficient Compositional and Compound Specific Isotopic Analysis of Volatile Primary Amines and Ammonia in the Murchison Meteorite Using SPME On-Fiber Derivatization: Optimization for Bennu Sample Analyses","authors":"Yongsong Huang,&nbsp;Ewerton Santos,&nbsp;Marcelo R. Alexandre,&nbsp;Philipp R. Heck,&nbsp;Ralph Milliken,&nbsp;Daniel P. Glavin,&nbsp;Jason P. Dworkin","doi":"10.1002/rcm.9979","DOIUrl":"10.1002/rcm.9979","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Extraterrestrial amines and ammonia are critical ingredients for the formation of astrobiologically important compounds such as amino acids and nucleobases. However, conventional methods for analyzing the composition and isotopic ratios of volatile amines suffer from lengthy derivatization and purification procedures, high sample mass consumption, and chromatographic interferences from derivatization reagents and non-target compounds.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Here we demonstrate a highly efficient method to analyze the composition and compound specific isotopic ratios of C₁ to C₆ amines as well as ammonia based on solid phase micro-extraction (SPME) on-fiber derivatization. 2,3,4,5,6-pentafluorobenzyl chloroformate (PFBCF) adsorbed on a solid phase SPME fiber is subsequently exposed to the headspace of the water extract of the Murchison meteorite to selectively extract, derivatize and concentrate volatile amines and ammonia. PFBCF does not directly contact the aqueous solution containing other soluble organics.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>An aliquot of volatile amines and ammonia in the headspace are selectively derivatized on the SPME fiber and subsequently thermally desorbed onto the GC injector for analysis. Only the amounts of amines required for either compositional or isotopic analysis are derivatized and consumed in the process, preserving the bulk fraction of amines and ammonia for other analyses, and the process does not affect other volatile compound classes. Carbon and hydrogen isotopic ratios of amines are obtained by isotopic mass balance.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The exceptional selectivity and sensitivity of SPME on-fiber derivatization of volatile amines in carbonaceous chondrite extracts allow minimization of sample consumption. Carbon and hydrogen isotopic values of individual amines in the Murchison meteorite are consistent with their extraterrestrial origin, with a substantial fraction inherited from interstellar molecular clouds. SPME on-fiber derivatization is well suited for analyzing extraterrestrial materials, especially precious asteroid return samples.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142997136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Detection of LGD-4033 Metabolites in Camel Urine, Plasma, and Hair Following Oral Administration for Doping Control","authors":"Praseen Ondern Komathu,&nbsp;Syed Ali M Padusha,&nbsp;Laya Saraswathy,&nbsp;Jahfar Nalakath,&nbsp;Christiana Hebel,&nbsp;Ansar Babu Palathinkal,&nbsp;Rasheed Naduvilakkandy","doi":"10.1002/rcm.9989","DOIUrl":"10.1002/rcm.9989","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>LGD-4033, a selective androgen receptor modulator (SARM), is recognized for promoting muscle growth and enhancing athletic performance. Its potent anabolic effects have led to its prohibition in both human and animal sports. Although initial in vitro studies have offered insights into its metabolism, an in-depth in vivo analysis is necessary to fully understand its metabolic pathways. This research aims to thoroughly investigate the metabolic profile of LGD-4033 in camels to establish reliable analytical markers, thereby addressing an important gap in the doping detection in camel racing.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Urine, plasma, and hair samples were collected from three healthy camels following a single oral administration of 100 mg LGD-4033 mixed with food. These biological samples were then analyzed using ultrahigh-performance liquid chromatography coupled with high-resolution Q Exactive Orbitrap mass spectrometry (UHPLC-HRMS).</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Fourteen metabolites were identified across all sample types. The main Phase I metabolite, <b>M6</b> (dihydroxylation), appears to be a primary target analyte for urine-based doping analysis. Both dihydroxy and trihydroxy metabolites were notably abundant in urine, accompanied by glucuronic and sulfonic acid conjugates; however, sulfonic acid conjugates were absent in in-vitro studies. Further research on hair samples, especially at higher LGD-4033 dosages, is recommended.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The findings from this study will improve the rapid identification of LGD-4033 and related compounds, supporting effective doping control in camel racing. These results enhance understanding of LGD-4033 metabolism in camels and advance the development of reliable methods for detecting SARMs in this field.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 8","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143055773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Isolation and Identification of Mercury–Dissolved Organic Matter Complexes in Mercury–Humic Acid Suspensions","authors":"Ghulam Hussain Qasim,&nbsp;Lisa Harris,&nbsp;Vaughn Mangal,&nbsp;Mario Montesdeoca,&nbsp;Svetoslava Todorova,&nbsp;Charles Driscoll","doi":"10.1002/rcm.9986","DOIUrl":"10.1002/rcm.9986","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>The complexation with dissolved organic matter (DOM) is a pivotal factor influencing transformations, transport, and bioavailability of mercury (Hg) in aquatic environments. However, identifying these complexes poses a significant challenge because of their low concentrations and the presence of coexisting ions.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>In this study, mercury–dissolved organic matter (Hg-DOM) complexes were isolated through solid-phase extraction (SPE) from Hg–humic acid suspensions, and complexes were putatively identified using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS).</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Dissolved organic carbon (DOC) and total Hg analysis before and after SPE showed an increase in DOC:Hg ratio. The DOC:Hg ratio was lower in extracts from cartridges with silica structure bonded with hydrocarbon chains (C18) than priority pollutant (PPL) cartridges at circumneutral pH, indicating that C18 was more effective at extracting DOM complexed Hg. These results were confirmed with FTICR-MS analysis, where two Hg-DOM complexes were putatively identified from PPL extracts as opposed to eight from C18 (Winnow score &gt; 75%). In addition, C₈H₁₃HgN₂O₂S, a molecular formula with a <i>m/z</i> ratio of 403.04, was identified across three separate extractions using a C18 cartridge, suggesting that the complexes were preserved during extraction and, presumably, electrospray ionization.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The results highlight the effectiveness of the methodology developed in this study—SPE coupled with FTICR-MS for isolating and identifying Hg-DOM complexes. This approach allows for the exploration of the elemental and structural composition of Hg-DOM complexes, which affects Hg speciation, bioavailability, and transformations in aquatic ecosystems.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Synopsis</h3>\u0000 \u0000 <p>A methodology was developed to identify Hg-DOM complexes at low concentrations to gain insight into mercury bioavailability, transformations, and transport in the environment.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 8","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11730372/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142976747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Metabolomic Analysis of Patients With Patent Foramen Ovale and Migraine Using Liquid Chromatography-Mass Spectrometry Technology","authors":"Paerhati Tuerxun,&nbsp;Peng-fei Gong,&nbsp;Dilimulati Nizhamuding,&nbsp;Yan Yang,&nbsp;Hai-tao Ye,&nbsp;Yang Xie,&nbsp;Xiu-fen Li","doi":"10.1002/rcm.9972","DOIUrl":"10.1002/rcm.9972","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Objective</h3>\u0000 \u0000 <p>This study aims to examine the changes in metabolic profiles in patients with patent foramen ovale (PFO) and migraine, as well as in patients with isolated migraine, before and after surgical intervention using metabolomics.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Patients were categorized into four groups: the simple migraine (SM) group, the PFO with migraine preoperative group (PRE), the PFO with migraine postoperative Day 3 group (POST_3d), and the PFO with migraine postoperative Day 30 group (POST_30d). Untargeted metabolomics using liquid chromatography–mass spectrometry (LC-MS) were employed to identify differential metabolites across these groups. Differential metabolites were identified, their clinical diagnostic value was assessed, and a correlation analysis was conducted to examine changes in metabolic pathways before and after surgery.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The expression levels of metabolites such as linoleic acid, quinolinic acid, homophenylalanine, and amphetamine showed significant changes in patients with PFO and migraine following surgery. Notably, linoleic acid demonstrated strong diagnostic potential for this patient population. Trend analysis revealed that the levels of 3-phenylpropionic acid and caffeine decreased on postoperative Day 3 and subsequently increased by postoperative Day 30, whereas gallic acid continuously declined. Compared to the PRE group, differential metabolites in the SM group were primarily associated with α-linolenic acid metabolism, niacin and nicotinamide metabolism, sphingolipid signaling, and tyrosine metabolism. In contrast, differential metabolites in the POST_3d group were predominantly enriched in phenylalanine metabolism, niacin and nicotinamide metabolism, protein digestion and absorption, and caffeine metabolism.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusion</h3>\u0000 \u0000 <p>Linoleic acid may serve as a potential biomarker, and the activation of inflammation and oxidative stress-related pathways could contribute significantly to the development of complicated migraine in patients with PFO.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 6","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142968819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multiclass Steroid Profiling in Short-Finned Pilot Whale Blubber Using Liquid Chromatography–Tandem Mass Spectrometry (LC-MS/MS)","authors":"Jillian H. Wisse,&nbsp;Douglas P. Nowacek,&nbsp;Ashley S. P. Boggs","doi":"10.1002/rcm.9965","DOIUrl":"10.1002/rcm.9965","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Wildlife scientists are quantifying steroid hormones in a growing number of tissues and employing novel methods that must undergo validation before application. This study tested the accuracy and precision of liquid chromatography–tandem mass spectrometry (LC-MS/MS) methods for use on blubber samples from short-finned pilot whales (<i>Globicephala macrorhynchus</i>). We expanded upon a method for corticosteroid quantification by adding analytes and optimizing internal standard (IS) application.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>We optimized a method for the quantification of seven steroid hormones using LC-MS/MS with a C18 column. We assessed the accuracy and precision of this updated C18 method and an existing biphenyl method for use with pilot whale blubber by conducting a spike recovery experiment and calculating percent recovery and relative standard deviation (RSD) for each analyte. To explore the potential for running this method with fewer matched ISs, we compared the performance of multiple ISs for each analyte.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>All 11 adrenal and gonadal analytes showed good accuracy and precision in the spike recovery experiment, with recoveries between 82% and 110% and recovery RSDs below 10%. The C18 method detected all analytes at endogenous concentrations, except aldosterone. Although endogenous DHEA was detected, variability was high. IS comparisons showed 10 of 11 analytes could be calculated with comparable accuracy and precision using an IS substitute, but some substitutions significantly altered the analyte concentrations calculated.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Discussion</h3>\u0000 \u0000 <p>The C18 method was not sensitive enough for endogenous aldosterone detection. DHEA, which has not been previously quantified in blubber, was detected in all samples, but with high variability at lower concentrations. The methods in this study provide reliable detection and quantification of the other nine hormones tested and can be used for assessments of adrenal and gonadal steroid hormones from whales. Laboratories can reduce costs through IS substitution but should consider how these substitutions affect results.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 6","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142968820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Analysis of Chemical Components of Penicillium chrysogenum Crude Extract Using Liquid Chromatography Coupled With Q-Exactive Orbitrap Mass Spectrometry Combined With GNPS Molecular Networking","authors":"Ya Lu,&nbsp;Jiao Yang,&nbsp;Kun Ma,&nbsp;Jiahui Qi,&nbsp;Jessica Villegas-Moreno","doi":"10.1002/rcm.9984","DOIUrl":"10.1002/rcm.9984","url":null,"abstract":"<div>\u0000 \u0000 <p>A Chinese isolate of the fungus <i>Penicillium chrysogenum</i> was analyzed using liquid chromatography coupled with Q-Exactive Orbitrap mass spectrometry combined with Global Natural Products Social Networking (GNPS) on culture condition leading to the rapid identification of 20 secondary metabolites. Among them are eight polyketones, two phthalides, six diketopiperazine alkaloids, and others. A meleagrine network was examined and proposed as a promising candidate for new natural products.</p>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 7","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142968833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}